6-chloro-N-(3-phenylpropyl)pyrazine-2-carboxamide

C14H14ClN3O — CID 103186748

IUPAC6-chloro-N-(3-phenylpropyl)pyrazine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cncc(Cl)n1
InChIInChI=1S/C14H14ClN3O/c15-13-10-16-9-12(18-13)14(19)17-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,17,19)
InChIKeyPYRSZRORIXJASC-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.49
Rot. Bonds5

About 6-chloro-N-(3-phenylpropyl)pyrazine-2-carboxamide

6-chloro-N-(3-phenylpropyl)pyrazine-2-carboxamide (PubChem CID 103186748) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 6-chloro-N-(3-phenylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-phenylpropyl)pyrazine-2-carboxamide
PubChem CID103186748
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name6-chloro-N-(3-phenylpropyl)pyrazine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cncc(Cl)n1
InChIInChI=1S/C14H14ClN3O/c15-13-10-16-9-12(18-13)14(19)17-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,17,19)
InChIKeyPYRSZRORIXJASC-UHFFFAOYSA-N
XLogP2.49
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,6-dichloro-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 26518394
5-amino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 81316646
6-chloro-N-(3-phenylpropyl)pyrazin-2-amine
CID 11608477
6-chloro-N-(3-phenylbutyl)pyrazine-2-carboxamide
CID 106551267
N-(4-phenylbutyl)quinoxaline-2-carboxamide
CID 22136414
5-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194849
N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 152622333
5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 109104300
5-hydrazinyl-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 107377524
5-chloro-1-methyl-N-(3-phenylpropyl)pyrazole-4-carboxamide
CID 68674787
ethyl 4-[(6-chloropyrazine-2-carbonyl)amino]butanoate
CID 103186993
5-(4-chloroanilino)-N-(3-phenylpropyl)pyrazine-2-carboxamide
CID 109287011

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-phenylpropyl)pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(3-phenylpropyl)pyrazine-2-carboxamide (CID 103186748) is 6-chloro-N-(3-phenylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-phenylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(3-phenylpropyl)pyrazine-2-carboxamide is O=C(NCCCc1ccccc1)c1cncc(Cl)n1.
What is the InChIKey of 6-chloro-N-(3-phenylpropyl)pyrazine-2-carboxamide?
The InChIKey is PYRSZRORIXJASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-13-10-16-9-12(18-13)14(19)17-8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,17,19).
What are the key properties of 6-chloro-N-(3-phenylpropyl)pyrazine-2-carboxamide?
6-chloro-N-(3-phenylpropyl)pyrazine-2-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-phenylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 103186748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).